Geometry & MOs

Info

ID:	412625
PubChem CID:	135085522
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	186.140851
ΔH_f, kcal/mol:	-19.01
Dipole, Da:	2.93
IP(EA), eV:	-8.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-ethynylbicyclo[5.4.1]dodeca-1,7(12)-diene

Drug info:

PubChemData

Smile

CN(CCC#CC(=O)OC)C1=CC=CC=C1

DOS

IR

Vibrations